11975273
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255
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14.9904
8.9282
12.3923
11.5263
15.8564
8.0622
14.1244
9.7942
13.2583
10.6603
17.5885
6.3301
17.5885
5.4641
16.7224
7.1962
18.4545
4.5981
14.1244
9.7942
18.4545
6.3301
18.4545
3.732
19.3205
2.866
19.3205
20.1865
2
2.866
14.5919
15.3889
9.3267
8.5297
12.7908
11.9938
11.1278
11.9248
16.2549
15.4579
7.6636
8.4607
13.2583
10.6603
17.3764
16.9779
5.8626
5.0656
16.7224
7.1962
18.6665
19.0651
4.1996
4.9966
14.7444
14.1244
13.5044
9.1742
9.7942
10.4142
18.1445
18.9914
18.7645
5.7101
6.3301
6.9501
17.9175
3.732
19.9405
19.3205
18.7005
19.8765
20.7235
20.4965
2.31
1.4631
1.69
2.246
2.866
3.486
-1.75
-1.25
-1.25
-1.75
-1.25
-1.75
-1.25
-1.75
-1.75
-1.25
-1.25
-1.75
-0.25
-1.25
-1.75
-1.25
0.25
-1.75
-0.25
-2.75
-1.75
-2.75
1.25
-1.25
1.75
-1.75
2.75
1.25
-1.25
-2.75
-2.225
-2.225
-0.7751
-0.7751
-0.7751
-0.7751
-2.225
-2.225
-0.7751
-0.7751
-2.225
-2.225
-2.37
-0.63
0.3326
-0.3577
-0.7751
-0.7751
-2.37
-0.63
-0.3326
0.3577
-2.225
-2.225
-0.25
0.37
-0.25
-2.75
-3.37
-2.75
-2.2869
-2.06
-1.2131
-2.75
-3.37
-2.75
1.56
-0.63
2.75
3.37
2.75
0.7131
0.94
1.7869
-0.7131
-0.94
-1.7869
-2.75
-3.37
-2.75
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
578
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
15
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F0780000000000000000000000000000000000000000000000000000000000000000001800000000000C008000000200000000008002204200000000002000000008000000080000020001000000000080000800020000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23-,30-24+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
YYGNTYWPHWGJRM-FLHYQJCXSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
11.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.391252
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C30H50
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.718
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C)/C)/C)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
0
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.391252
30
0
0
0
4
4
0
0
1
1